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Basic Information
CAS No.: 130593-24-7
Name: 2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-(9CI)
Molecular Structure:
Molecular Structure of 130593-24-7 (2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-(9CI))
Formula: C10H8N2OS
Molecular Weight: 204.25
Synonyms: 6-Methoxy-4-methyl-1,3-benzothiazole-2-carbonitrile;2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-(9CI);
Density: 1.313 g/cm3
Boiling Point: 354.022 °C at 760 mmHg
Flash Point: 167.907 °C
PSA: 74.15000
LogP: 2.48498
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    2-BENZO[D]THIAZOLECARBONITRILE,6-METHOXY-4-METHYL-Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-(9CI)

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    2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-(9CI)

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Specification

The 2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-, with the CAS registry number 130593-24-7, is also known as 2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-(9CI). It belongs to the product category of Benzothiazole. This chemical's molecular formula is C10H8N2OS and molecular weight is 204.25. What's more, its systematic name is 6-methoxy-4-methyl-1,3-benzothiazole-2-carbonitrile.

Physical properties of 2-Benzothiazolecarbonitrile,6-methoxy-4-methyl- are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.839; (4)ACD/LogD (pH 7.4): 2.839; (5)ACD/BCF (pH 5.5): 84.662; (6)ACD/BCF (pH 7.4): 84.662; (7)ACD/KOC (pH 5.5): 834.548; (8)ACD/KOC (pH 7.4): 834.549; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.15 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 55.805 cm3; (15)Molar Volume: 155.533 cm3; (16)Polarizability: 22.123×10-24cm3; (17)Surface Tension: 61.318 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 167.907 °C; (20)Enthalpy of Vaporization: 59.901 kJ/mol; (21)Boiling Point: 354.022 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc2c1nc(s2)C#N)OC
(2)InChI: InChI=1S/C10H8N2OS/c1-6-3-7(13-2)4-8-10(6)12-9(5-11)14-8/h3-4H,1-2H3
(3)InChIKey: FYTQITYKFFXNCC-UHFFFAOYSA-N